Analyte Name

N-((NE)-N-((5-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-3,4-dihydropyrazol-2-yl)-((4-(trifluoromethyl)phenyl)sulfonylamino)methylidene)carbamimidoyl)acetamide

Molecular Formula

C26 D9 H13 Cl F3 N6 O3 S

Molecular Weight

600.06

Accurate Mass

599.168

SMILES

[2H]c1c([2H])c([2H])c(C2CN(N=C2c3c([2H])c([2H])c(Cl)c([2H])c3[2H])\C(=N/C(=N)NC(=O)C)\NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c([2H])c1[2H]

InChI

InChI=1S/C26H22ClF3N6O3S/c1-16(37)32-24(31)33-25(35-40(38,39)21-13-9-19(10-14-21)26(28,29)30)36-15-22(17-5-3-2-4-6-17)23(34-36)18-7-11-20(27)12-8-18/h2-14,22H,15H2,1H3,(H3,31,32,33,35,37)/i2D,3D,4D,5D,6D,7D,8D,11D,12D

IUPAC

N-[(NE)-N-[[5-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-3,4-dihydropyrazol-2-yl]-[[4-(trifluoromethyl)phenyl]sulfonylamino]methylidene]carbamimidoyl]acetamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat